Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17454362 | 0.84 | NAMPT (0.37) | NAMPTL3MBTL1ALDH1A1LMNAGAA | |
| SCHEMBL17437876 | 0.84 | ALKBH1 (0.36) | NAMPTL3MBTL1ALDH1A1LMNAGAA | |
| SCHEMBL17437947 | 0.82 | TSHR (0.42) | ALDH1A1LMNANPC1RAB9AHSD17B10 | |
| SCHEMBL17452582 | 0.81 | ACHE (0.37) | NAMPTL3MBTL1ALDH1A1LMNAGAA | |
| SCHEMBL18994374 | 0.74 | GAA (0.49) | NAMPTALDH1A1LMNAGAACYP1A2 | |
| SCHEMBL25648965 | 0.72 | PDE2A (0.34) | HTTSMN1; SMN2PDE2A | |
| SCHEMBL19663973 | 0.71 | PTGER1 (0.39) | L3MBTL1ALDH1A1LMNAACHENPC1 | |
| SCHEMBL26134772 | 0.71 | BAZ2B (0.42) | LMNANPC1RAB9AMAPTKMT2A | |
| SCHEMBL26388376 | 0.69 | PDE2A (0.33) | PDE2A | |
| SCHEMBL1662616 | 0.69 | PDE2A (0.33) | PDE2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |